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Context: High nitrogen and high-density compounds have become popular research objects in the energetic materials in recent years. Among them, compounds composed of triazine and azole skeleton rings have received attention due to their good stability and nitrogen content. The triazine imidazole-based condensed ring energetic derivatives have good properties and lack research on the direction of thermal decomposition. By exploring the thermal decomposition mechanism of energetic materials, their safety and thermal stability can be effectively analyzed. 2-Nitro-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has excellent thermal stability and low mechanical sensitivity, making it a potential candidate for heat-resistant and insensitive energetic materials. So this article chooses 2-nitro-[1,2,4] triazolo[1,5-a][1,3,5]triazine-5,7-diamine as the research object and uses density functional theory (DFT) to study its thermal decomposition mechanism. The thermal decomposition mechanism is helpful to deepen the understanding of these substances. This work calculated the key information such as the reaction potential barrier of the substance and gradually derived it. The research shows that its decomposition path includes ring cleavage, hydrogen atom rearrangement, and free radical detachment. Methods: Based on the density functional theory (DFT), all substances in this work were subjected to structural optimization and energy calculations using the B3LYP/6–311 + G(d,p) and M06-2X/def2TZVPP methods. After optimizing convergence, perform vibration analysis without imaginary frequencies to obtain a stable structure. [ABSTRACT FROM AUTHOR]

Designing novel π-conjugated conductive polymers with abundant redox-active groups is a viable route to achieve high charge storage performance for aqueous energy storage devices. Electropolymerization is a powerful tool to construct conductive polymers. Here, s-triazine is, for the first time, electropolymerized in an aqueous acidic solution on carbon cloth. The polytriazine-coated carbon cloth electrode (PT/CC) exhibits a granular structure, with abundant pores. The charge storage performance is investigated, and a specific capacity of 101.4 mAh g − 1 at 1 A g − 1 in 1 M H 2 S O 4 is achieved. Additionally, in 1 M ZnSO4, a specific capacity of 50.3 mAh g − 1 at 1 A g − 1 can be achieved by the PT/CC. The PT/CC behaves as a battery-type charge storage electrode, and the amino/imino and carbonyl/hydroxyl groups contribute to the charge storage, with cation insertion and extraction. A symmetric aqueous charge storage device assembled with two PT/CC electrodes exhibits an energy density of 12.92 Wh k g − 1 and a power density of 250 W k g − 1 at 1 A g − 1 . After 2500 cycles at 10 A g − 1 , the device retains a specific capacity of 83.3%. This study indicates that the PT is a potential candidate material for an aqueous energy storage device. [ABSTRACT FROM AUTHOR]

Copyright of Selcuk University Journal of Science Faculty / Selçuk Üniversitesi fen Fakültesi fen Dergisi is the property of Selcuk University Journal of Science Faculty and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Selcuk University Journal of Science Faculty / Selçuk Üniversitesi fen Fakültesi fen Dergisi is the property of Selcuk University Journal of Science Faculty and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The acetonitrile AgIII complex [AgIII(CF3)3(NCCH3)] (2) has been reported independently by Eujen and Naumann in the last century, albeit with intriguing NMR discrepancy. In their reports, 2 was claimed to be obtained starting from either [AgIII(CF3)3Cl]− (3⋅Cl) or [AgIII(CF3)4]− (1) via halide abstraction using AgNO3 or acidic treatment, resp. These two synthetic routes are herein reinvestigated. The feasibility of Naumann's method is demonstrated, thus providing 2 yet accompanied by its s‐triazinyl derivative [AgIII(CF3)3(C6H9N3)] (2'). The formation of 2' is unprecedented and was thereby investigated. Both 2 and 2' were isolated in pure fashion and fully characterized. In turn, halide extraction from 3⋅Cl leads to the AgIII‐ONO2 anion 5 instead of 2, as evidenced by NMR spectroscopy, EA and Sc‐XRD. [ABSTRACT FROM AUTHOR]

Three triphenylamine‐ and s‐triazine‐based conjugated microporous polymers (TTPA, TTDATA, and TTMDATA) were prepared via the Friedel−Crafts arylation reactions under the catalytic action of CH3SO3H. In virtue of containing rich nitrogen atoms in their porous frameworks, the obtained TTPA, TTDATA, and TTMDATA possess good fluorescence sensing property for o‐nitrophenol (o‐NP) with high quenching coefficients of 1.54 × 104, 1.32 × 104, 1.33 × 103 L mol−1 and low limits of detection (LODs) of 2.44 × 10−9, 1.14 × 10−11, and 1.35 × 10−8 mol L−1, respectively. The fluorescent quenching mechanism of TTPA for selective sensing o‐NP is the photo‐induced charge‐transfer mechanism. However, the fluorescent quenching mechanisms of TTDATA and TTMDATA for selective sensing o‐NP have both the photo‐induced charge‐transfer mechanism and the resonant energy transfer mechanism. [ABSTRACT FROM AUTHOR]

Overcoming the trade-off relationship between conductivity and alkaline stability is a crucial challenge for the practical application of anion exchange membranes (AEMs) in fuel cells. The cross-linked hydrogenated diblock copoly (norbornene)s AEMs with bulky substituted s-triazine based triimidazolium cation clusters were prepared. The prepared H-rPNB-T-triMPh-diMIm-1.64 has the low swelling ratio (SR less than 20%), reasonable water uptake (WU = 82.9%), and high ionic conductivity (114.8 mS cm−1) at 80 °C. In addition, the membrane is able to maintain 91.3% of the initial conductivity after being exposed to 1 M NaOH solution at 80 °C for 32 days. The single cells assembled with H-rPNB-T-triMPh-diMIm-1.64 exhibit a peak power density of 272 mW cm−2 under a current density of 650 mA cm−2 at 80 °C. The novel development strategy that the imidazolium cation cluster functionalized poly (norbornene) is promised to be an effective approach to develop the high-performance AEMs for application in fuel cells. [Display omitted] • Novel bulky substituted s-triazine based triimidazolium cation clusters were adopted. • An all-hydrocarbon diblock hydrogenated copoly (norbornene)s backbone was constructed. • The prepared AEMs exhibit both high conductivity and excellent alkaline stability. • The ionic cross-linked structure effectively restrains excessive swelling (SR ≦ 20%). [ABSTRACT FROM AUTHOR]

The focus of this study is on the synthesis of organic fluorescent and thermally stable polyamides using an s-triazine frame. Coumarin and n-phenyl anthranilic acid have been utilized as bulky pendent groups in the synthesis of the monomer, resulting in polyamides with two groups that enhance stability and fluorescence. The synthesized polyamides have been characterized using a variety of techniques. The thermal stability of the polyamides has been studied using thermogravimetric analysis. These polyamides offer appealing features such as fluorescence and enhanced thermal stability, making them significant for a wide range of applications, including biosensors, clean energy technologies, and explosive sensing. [ABSTRACT FROM AUTHOR]

Today, one of the most common malignancies in women is breast cancer. Despite the large number of commercially available anticancer drugs, cancer cannot be cured without leaving adverse effects. The MCF-7, a human breast cancer cell line, has been the subject of the most research globally. Similarly, overexpression of the EGFR protein increases cell proliferation and decreases cell death or apoptosis. This can stimulate several downstream signaling pathways. Therefore, novel drugs against cancer with improved selectivity and specificity are required to overcome the limitations of present therapy. The s-triazine derivatives have been designed and developed to exhibit excellent anticancer effects on the MCF-7 cell line and demonstrate enzymatic activity by blocking the EGFR via the PI3K/AKT/mTOR signaling pathways. Therefore, the major goal of this in-depth study is to analyze and summarize the literature on recent developments in s-triazine-based heterocycles and their anti-breast cancer potential with structure-activity relationships (SAR). [ABSTRACT FROM AUTHOR]

The [ZnL(ONO2)2] 1 and [ZnL(NCS)2] 2 complexes were synthesized using self-assembly of the s-triazine tridentate ligand (L) with Zn(NO3)2·6H2O and Zn(ClO4)2·6H2O/NH4SCN, respectively. The Zn(II) is further coordinated by two nitrate and two isothiocyanate groups as monodentate ligands in 1 and 2, respectively. Both complexes have distorted square pyramidal coordination environments where the extent of distortion is found to be greater in 2 (τ5 = 0.41) than in 1 (τ5 = 0.28). Hirshfeld calculations explored the significant C···O, C···C, N···H, and O···H contacts in the molecular packing of both complexes. The energy framework analysis gave the total interaction energies of −317.8 and −353.5 kJ/mol for a single molecule in a 3.8 Å cluster of 1 and 2, respectively. The total energy diagrams exhibited a strong resemblance to the dispersion energy frameworks in both complexes. NBO charge analysis predicted the charges of the Zn(II) in complexes 1 and 2 to be 1.217 and 1.145 e, respectively. The electronic configuration of Zn1 is predicted to be [core] 4S0.32 3d9.98 4p0.45 4d0.02 5p0.01 for 1 and [core] 4S0.34 3d9.97 4p0.53 4d0.02 for 2. The increased occupancy of the valence orbitals is attributed to the donor→acceptor interactions from the ligand groups to Zn(II). The Zn(II) complexes were examined for their cytotoxic and antimicrobial activities. Both 1 and 2 have good cytotoxic efficiency towards HCT-116 and A-549 cancerous cell lines. We found that 1 is more active (IC50 = 29.53 ± 1.24 and 35.55 ± 1.69 µg/mL) than 2 (IC50 = 41.25 ± 2.91 and 55.05 ± 2.87 µg/mL) against both cell lines. Also, the selectivity indices for the Zn(II) complexes are higher than one, indicating their suitability for use as anticancer agents. In addition, both complexes have broad-spectrum antimicrobial activity (IC50 = 78–625 μg/mL) where the best result is found for 2 against P. vulgaris (IC50 = 78 μg/mL). Its antibacterial activity is found to be good compared to gentamycin (5 μg/mL) as a positive control against this microbe.

A new series of indazole-indolizine-triazine hybrid molecules was obtained by [3 + 2] cycloaddition reaction between newly synthesized nitrogen ylides with indazole skeleton and previously reported dipolarophile 2‐ethynyl‐4,6‐dimethoxy‐1,3,5‐triazine and fully characterized. The biological evaluation of hybrids revealed good antitumor growth inhibitory activity against UO-31 renal cancer cell line for the (1H-indazole-1-yl)(1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-methylindolizin-3-yl)methanone derivative 7a. Also, for the same compound, a moderate farnesyltransferase inhibitory activity (IC50 = 52.50 ± 16.07 µM) was observed. However, the best result as farnesyltransferase inhibitor of the series was registered for the 5-bromoindazole substituted analogue 7e (IC50 = 27.08 ± 4.93 µM).

A new series of substituted 4-(4-(4,6-diethoxy-1,3,5-triazin-2-yl-amino)phenyl)-2-amino-6-(phenyl)pyridine-3-carbonitrile derivatives had been prepared. All the compounds (7a-h) were prepared by conventional methods and characterized by IR, 1HNMR, and Mass spectra. The compounds were evaluated for their anti-bacterial against species like E. coli, Salmonella typhi, and Staphylococcus aureus and antifungal activity against Aspergillus niger, Aspergillus flavus, and Penicillium chrysogenum. Compounds having methoxy and chloro group substitution show better activity than other compounds. [ABSTRACT FROM AUTHOR]

Copyright of Selcuk University Journal of Science Faculty / Selçuk Üniversitesi fen Fakültesi fen Dergisi is the property of Selcuk University Journal of Science Faculty and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

This study investigates the solid‐state structure of a copolymer composed of polyethylene glycol (PEG) and azacalixarene, which has two s‐triazine rings and two phenyl rings alternately crosslinked by amino groups. Azacalixarene derivatives containing a low‐molecular‐weight linker moiety and exhibiting an amorphous structure have been synthesized in previous studies; however, in this study, they are crystallized by the substitution of the linker moiety with PEG. The spherulites formed by the corresponding copolymer possess the ability to form higher‐order structures, growing up to a diameter of 1.7 mm depending on the crystallization conditions. The azacalixarene‐PEG copolymer forms negative spherulites via homogeneous nucleation and exhibits a lamellar period at 13.8 nm. The lamellar crystalline part itself is 5.8 nm in thickness; bulky amorphous regions are also observed in the copolymer structure. Reciprocal lattice analysis results reveal that the crystal parts form a packing structure similar to the crystal lattice of PEG. The promotion of spherulite growth is predicted to reflect the characteristics of the corresponding copolymer, which crystallizes while universally containing many amorphous regions. [ABSTRACT FROM AUTHOR]

A significant group of compounds arise from substituted s-triazine derivatives that have tripodal heterocyclic compound. Compounds classified as heterocyclic possible created the largest and most diverse family of organic compounds. In this study, we reported that a new template has been syntheses from a cyanuric chloride and its diamine derivative. The desired triamine a tripodal 2, 4, 6-tris (p-aminoaanilino)-1, 3, 5-triazine (C21H21N9), called to be TRIPOD, has been obtained from cyanuric chloride with 3 eq of p-phenylenediamine reaction in acetone. After synthesis, TRIPOD sample which was polycrystal form was irradiated by cobalt-gamma source. The electron paramagnetic resonance spectra of TRIPOD were recorded using X-band EPR spectrometer at room temperature in three axes (x, y, z) which are perpendicular at 10 intervals. The EPR spectrum was simulated using computer program and by using the spectrum. The radical structure was determined in the sample.

The ligands 2,4-bis(2-hydroxyphenyliminomethyl)-6-methyl-1,3,5-triazine (AGSAL), 2,4-bis(2-carboxyphneyliminomethyl)-6-methyl-1,3,5-triazine (AG2FBA), and 2,4-bis(4-carboxyphneyliminomethyl)-6-methyl-1,3,5-triazine (AG4FBA) were prepared with a Schiff base condensation between acetoguanamine and the corresponding salicylaldehyde, 2-formylbenzoic acid, and 4-formylbenzoic acid. High-spin (S = 5/2) complex [FeIII(AGSAL)Cl] was obtained by complexation of AGSAL with FeCl3. Then, binuclear complexes [{FeIII(AGSAL)}2(AG2FBA)] and [{FeIII(AGSAL)}2(AG4FBA)] were prepared by combination of [FeIII(AGSAL)Cl] and "(AG2FBA), (AG4FBA)," respectively. Then, trinuclear complexes [{FeIII(AGSAL)}2(FeIIIAG2FBA)] and [{FeIII(AGSAL)}2(FeIIIAG4FBA)] of the ligands were prepared by reaction of the binuclear complexes and FeCl3 salt. A weak antiferromagnetic exchange was found for all complexes. Finally, the structures of ligands and complexes were identified by using elemental analysis, magnetic susceptibility, 1H NMR, 13C NMR and FT-IR spectral data. [ABSTRACT FROM AUTHOR]

A new 1D Ni(II) coordination polymer was synthesized by the reaction of NiSO4·6H2O with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (BPT) and SCN− as a linker in an acidic medium by heating under reflux conditions. Unusually, the BPT ligand underwent acid-mediated hydrolysis by losing one of the pyrazolyl arms afforded the polymeric [Ni(MPT)(H2O)(SCN)2]n complex (MPT: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazin-2-ol. The Ni(II) center is coordinated with one MPT as a bidentate NN-chelate, one water molecule, and two thiocyanate groups in cis positions to one another. One of the thiocyanate groups acts as a bridging ligand between metal centers, leading to a one-dimensional polymeric structure that extends along the c-direction. The other thiocyanate group is terminally N-coordinated. The [Ni(MPT)(H2O)(SCN)2]n complex has been screened in vitro against two pathogenic fungal strains: A. fumigatus, C. albican, and four pathogenic bacterial strains: S. aureus, B. subtilis as gram-positive bacteria, E. coli, P. vulgaris as gram-negative bacteria. The results showed that the complex has the potential to be used as both an antibacterial and an antifungal agent. Also, the [Ni(MPT)(H2O)(SCN)2]n complex showed cytotoxic activities against hepatocellular (HepG-2) and lung (A-549) cell lines, with IC50 values of 132.67 ± 5.14 and 146.97 ± 7.34 μM, respectively. [ABSTRACT FROM AUTHOR]

• Two newly homoleptic [M(BPPT) 2 ](ClO 4) 2 complexes (M = CO or Ni), were synthesized. • The Co(II) and Ni(II) are hexa-coordinated with distorted octahedral configuration. • Supramolecular packing was investigated using Hirshfeld analysis. • AIM and NBO studies were performed for the two complexes. • Both complexes have promising cytotoxic and antimicrobial activities. The antimicrobial and anticancer potentials of the newly synthesized homoleptic [M(BPPT) 2 ](ClO 4) 2 complexes, where M = Co or Ni, were reported. Their molecular structure aspects were investigated with the aid of elemental analysis, FTIR spectra, and X-ray crystallography. The s -triazine functional ligand (BPPT) worked as a tridentate N -chelate. With two BPPT molecules in the coordination sphere, the Co(II) and Ni(II) are hexa-coordinated with distorted octahedral configuration. The important supramolecular structural aspects were investigated using Hirshfeld topology analysis. The red spots in the d norm map are related to the short O···H, N···H, C···H, and C···O contacts. 1 and 2 have promising antibacterial and antifungal activities against P.vulgaris (MIC = 2.5 μg/mL) and A. fumigatus (2.5 μg/mL), respectively exceeding the medications gentamycin (MIC= 5.0 μg/mL) and ketoconazole (5 μg/mL) as positive controls, respectively. In addition, 1 is better anticancer agent against HCT-116 (IC 50 = 2.44±0.32 µg/mL) and A-549 (3.88±0.38 µg/mL) cell lines compared to the Ni(II) analogue (3.54±0.39 and 6.37±0.54 µg/mL, respectively). Their cytotoxic activity exceeded the efficiency of cis -platin versus both carcinoma cells (HCT-116; 8.4 ± 0.8 and A-549; 19.3 ± 0.8 µg/mL). The selectivity indices of 1 and 2 are exceeding unity indicating their availability for use as anticancer therapeutic agents. [ABSTRACT FROM AUTHOR]

[Display omitted] • Three transition metal complexes of s -triazine ligand (MorphBPT) were synthesized. • The coordination geometry of metal ion in all complexes is distorted octahedral. • Their supramolecular structures were analyzed using SCXRD and Hirshfeld analyses. • AIM study was used to analyze the M N and M O coordinate bonds. • Their cytotoxicity and antimicrobial activities are promising. Three transition metal complexes of s -triazine ligand (MorphBPT) were synthesized, characterized, and their supramolecular structures are explored. Their structures are confirmed to be [Co(MorphBPT) 2 ](ClO 4) 2 (1), [Mn(MorphBPT) 2 ](ClO 4) 2 (2), and [Ni(MorphBPT)(H 2 O) 3 ]Cl 2 ·2H 2 O (3) using single crystal X-ray diffraction. In all cases, the MorphBPT is a tridentate N -chelator. Hence, the metal ions have hexa-coordination environment in all complexes. In the two homoleptic complexes 1 and 2 , the O···H, C···H, and C···O contacts, in addition to some short N···O and H···H contacts detected only in 2 , are the most important. For 3 , the Cl···H, O···H, and C···H contacts are the most significant. Enrichment ratio was used to detect the atom pairs which have the highest probability to form non-covalent interactions. The nature of M N and M O coordination interactions is analyzed with the aid of AIM calculations. Also, the interactions with the ligand moieties lowers the charge of Co(II), Ni(II), and Mn(II) to 0.8411, 0.9332, and 0.8308 e, respectively. The three complexes 1 , 2 , and 3 exhibited antibacterial activity exceeds the reference drug gentamicin against P. vulgaris where the diameter of the inhibition zones (DIZs) are determined to be 28, 29, 27, and 25 mm, respectively. In addition, 1 and 2 have antifungal activity better (DIZ = 18 mm) and equal (DIZ = 17 mm) compared to ketoconazole against A. fumigatus , respectively. The Mn(II) complex 2 is the most active against MCF-7 (75.3 ± 3.1 μM) and A-549 (40.2 ± 2.7 μM) cancerous cell lines. [ABSTRACT FROM AUTHOR]

Fluorescent High-Performance polymers are well known as high performance engineering thermoplastics because of their good thermal stability, chemical resistance and excellent mechanical properties. Polymers having S-triazine ring become a subject of interest because of enhanced toughness and low moisture absorption and commercially available high performance engineering plastic materials. However, the thermal stability of triazine ring makes it an attractive monomer for use in high temperature polymers. Synthesis of polymers containing chromophoric groups which are responsible for fluorescent property have significant applications in fields such as biosensors, clean energy technologies, explosive sensing, pH/temperature sensor, biological imaging, life science, material science, ultrasensitive molecular diagnosis and novel light - emitting nano devices. The aromatic azo group is being more interest because of the existence of cis-trans isomerism and its effect on the photochromic properties of the polymers. Therefore, polymers having azo group have potential use in a variety of applications. Fluorescent polymers can be developed with different methods; generally, there are two methods for preparation of fluorescent polymers. One of them is polymerization of a monomer having a fluorescent chromophore such as fluorescent compounds as initiator, fluorescent compounds as chain transfer agents, chemical bonding between fluorescent groups and polymers. The second way, chemical alteration of commercially available polymers having reactive groups by using fluorescent dyes or organic molecules. [ABSTRACT FROM AUTHOR]

A significant group of compounds arise from substituted s-triazine derivatives that have tripodal heterocyclic compound. Compounds classified as heterocyclic possible created the largest and most diverse family of organic compounds. In this study, we reported that a new template has been syntheses from a cyanuric chloride and its diamine derivative. The desired triamine a tripodal 2, 4, 6-tris (p-aminoaanilino)-1, 3, 5-triazine (C21H21N9), called to be TRIPOD, has been obtained from cyanuric chloride with 3 eq of p-phenylenediamine reaction in acetone. After synthesis, TRIPOD sample which was polycrystal form was irradiated by cobalt-gamma source. The electron paramagnetic resonance spectra of TRIPOD were recorded using X-band EPR spectrometer at room temperature in three axes (x, y, z) which are perpendicular at 10° intervals. The EPR spectrum was simulated using computer program and by using the spectrum. The radical structure was determined in the sample. [ABSTRACT FROM AUTHOR]

The synthesis and X-ray structure analysis of the new [PdLCl2]*0.5 CH2Cl2 complex where L is hydrazono-s-triazine di-morpholine derivative, were presented. In the neutral inner sphere of this complex, the organic ligand L is acting as a NN-bidentate chelate via the pyridine and hydrazone N-atoms. The coordination configuration of the Pd(II) is completed by two chloride ions at cis-positions. The tetra-coordinated Pd(II) showed a distorted square planar geometry. The outer sphere comprised half methylene chloride molecule per [PdLCl2] as crystal solvent. The crystal stability is dominated by a number of weak C-H…N, C-H…Cl, and C-H…O non-covalent interactions. Based on Hirshfeld analysis, the H…H, N…H, H…Cl, O…H, Pd…C, and Cl…C intermolecular interactions contributed by 45.2, 9.3, 21.5, 5.8, 2.3, and 3.4%, respectively. DFT studies revealed closed shell characters for the Pd-N and Pd-Cl coordinate bonds. The net charge of Pd is also predicted to be 0.311 e and the amount of electron density transferred from the ligand groups is 1.689 e. The Pd(II) complex exhibited potent cytotoxic activity against MCF-7, HepG2, and A549 cells with IC50 values of 1.18, 4.74, and 5.22 μg/mL, compared to cisplatin with IC50 values of 4.1, 9.7, and 12.3 μg/mL, respectively. Additionally, it exhibited poor cytotoxicity against WISH cells with much higher IC50 values (IC50 = 37.2 μg/mL). Investigating apoptosis-induction, the Pd(II) complex induced apoptotic cell death by an 11-fold change in MCF-7 cells arresting the cell phase at the G0–G1 phase. Accordingly, Pd(II) complex can be developed as a promising anti-breast cancer agent.

The two dinuclear Cd(II) complexes [Cd(BPMST)(SCN)]2 (1) and [Cd(BPMST)(N3)Cl]2 (2) of a s-triazine/pyrazolo ligand (BPMST) were synthesized. The preparation of both complexes was performed in a water–ethanol solvent mixture and involved the mixing of the functional ligand BPMST with CdCl2 in the presence of thiocyanate or azide as linkers, respectively. The dinuclear formula of both complexes and the involvement of the pesudohalide as a linker between the Cd(II) centers were approved by single crystal X-ray structures. The Cd(II) was hexa-coordinated and the CdN5S (1) and CdN5Cl (2) coordination environments had distorted octahedral geometry. In the [Cd(BPMST)(SCN)]2 and [Cd(BPMST)(N3)Cl]2, the BPMST acted as a pincer tridentate N-chelate. In the case of 1, the SCN¯ acted as a μ(1,3) bridging ligand between the Cd(II) centers, while the N3¯ had a μ(1,1) bridging mode in 2. As a result, the Cd…Cd distance was significantly longer in 1 (5.8033(5) Å) than in 2 (3.796(2) Å). In both complexes, the Cd(II) had distorted octahedral coordination geometry. Hirshfeld surface analysis was performed to inspect the supramolecular aspects of the two Cd(II) complexes. The C…H, N…H and S…H contacts were important in the case of [Cd(BPMST)(SCN)]2 (1). Their percentages were calculated to be 14.7, 17.0 and 13.4%, respectively. In the case of [Cd(BPMST)(N3)Cl]2 (2), the most significant contacts were the Cl…H, C…H and N…H contacts. Their contributions in the molecular packing were 16.5, 9.7 and 25.3%, respectively. The propensity of atom pairs of elements to form contacts in the crystal structure was analyzed using enrichment ratio (EXY).

The unexpected tetranuclear [Cu4(DPPT)2Cl6] complex was obtained by self-assembly of CuCl2.2H2O and (E)-2,4-di(piperidin-1-yl)-6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine, (HDPPT) in ethanol. In this tetranuclear [Cu4(DPPT)2Cl6] complex, the organic ligand acts as mononegative chelate bridging two crystallographically independent Cu(II) sites. The DPPT− anion acts as a bidentate ligand with respect to Cu(1), while it is a tridentate for Cu(2). The Cu(1)N2Cl3 and Cu(2)N3Cl spheres have square pyramidal and square planar coordination geometries with some distortion, respectively. Two of the chloride ions coordinating the Cu(1) are bridging between two crystallographically related Cu(1) sites connecting two [Cu2(DPPT)Cl3] units together, leading to the tetranuclear formula [Cu4(DPPT)2Cl6]. The packing of the [Cu4(DPPT)2Cl6] complex is dominated by C-H…Cl contacts, leading to one-dimensional hydrogen-bond polymeric structure. According to Hirshfeld surface analysis of molecular packing, the non-covalent interactions H…H, Cl…H, Cl…C, C…H, and N…H are the most significant. Their percentages are 52.8, 19.0, 3.2, 7.7, and 9.7%, respectively. Antimicrobial assessment showed good antifungal activity of the Cu(II) complex against A. fumigatus and C. albicans compared to Ketoconazole as positive control. Moreover, the [Cu4(DPPT)2Cl6] complex has higher activity against Gram-positive bacteria than Gentamycin as positive control. The opposite was observed when testing the tetranuclear [Cu4(DPPT)2Cl6] complex against the Gram-negative bacteria.

The two complexes, [Ni(DPPT)2](NO3)2*1.5H2O (1) and [Ni(DPPT)(NO3)Cl].EtOH (2), were synthesized using the self-assembly of (E)-2,4-di(piperidin-1-yl)-6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine (DPPT) with Ni(NO3)2*6H2O in the absence and presence of NiCl2*6H2O, respectively. In both cases, the neutral tridentate DPPT ligand is found coordinated to the Ni(II) via three N-atoms from the hydrazone, pyridine and s-triazine rings. Hence, the homoleptic complex 1 has a NiN6 hexa-coordination environment while two NO3− are counter anions in addition to one-and-a-half crystallized hydration water molecules are found acting as an outer sphere. The heteroleptic complex 2 has a NiN3O2Cl coordination sphere where the coordination environment of the Ni(II) is completed by one bidentate nitrate and one chloride ion leading to a neutral inner sphere while the outer sphere contains one crystallized ethanol molecule. Both complexes have distorted octahedral coordination environments around the Ni(II) ion. Using Hirshfeld analysis, the intermolecular contacts H…H and O…H in 1 and the Cl…H, O…H, N…H, H…H, C…H and C…C in 2 are found to be the most important for crystal stability. The antimicrobial activity of complexes 1 and 2 was assessed against different bacterial and fungal strains, and the results were compared with the free ligand as well as the antibacterial (Gentamycin) and antifungal (Ketoconazole) positive controls. Both Ni(II) complexes are better antibacterial and antifungal agents than the free ligand. Interestingly, both Ni(II) complexes have similar antifungal activity against C. albicans compared to Ketoconazole.

• Synthesis of s -triazine derivatives appended with medicinal potent scaffolds. • DFT studies of synthesized compounds. • Antimicrobial evaluation of synthesized compounds. • ADMET analysis. This paper introduces a series of novel s-triazine analogues (designated as compounds (14 – 26) incorporating diverse bioactive heterocyclic scaffolds such as 1-adamantylamine, sulfamerazine, sulfadiazine, morpholine, 2-amino-5-methylthiazole, n-phenylpiperazine, and n-ethyl piperazine. These analogues were meticulously incorporated due to their potential medicinal relevance. Their antimicrobial properties were evaluated against Pseudomonas chlororaphis and Malassezia furfur. Notably, compounds 20 and 26 , derived from distinct synthetic schemes, demonstrated the highest activity, with IC 50 values of 57.66±0.47 and 17.33±0.47 µg/mL, respectively, against Pseudomonas chlororaphis , and IC 50 values of 43.66±0.57 and 37.66±0.57 µg/mL, respectively, against Malassezia furfur. A comprehensive analysis utilizing Density Functional Theory (DFT) was employed to validate the experimental findings. This manuscript encapsulates the synthesis, biological assessment, and computational scrutiny of the novel s -triazine analogues, shedding light on their potential as antimicrobial agents and providing insights into their molecular characteristics. The ADMET analysis showed that the synthesized compounds had pharmacokinetic properties that are potentially suitable for clinical use. [Display omitted] [ABSTRACT FROM AUTHOR]

In this study, 2,4-diamino-6-methyl-1,3,5-triazine (acetoguanamine) was used as the starting material. 2,4-diamino-6-methyl-1,3,5-triazine was boiled under reflux with glutaraldehyde and terephthaldehyde in acetonitrile. And, s-triazine-containing polymer ligands (IV and V) were obtained by these condensation reactions. These target s-triazin containing polymer ligands we obtained were analyzed by 1H-NMR, FT-IR and elemental analysis. Then, polymeric metal (Co2+, Ni2+ and Cu2+) complexes of the polymeric ligands (VI-XI) were obtained from the interaction with CoCl2 ∙ 6H2O, NiCl2 ∙ 6H2O and CuCl2 ∙ 2H2O at 60 ℃ in ethyl alcohol. The structures of these complexes were also illuminated and elucidated using FT-IR, elemental analysis and magnetic susceptibility analysis. The polymerization degrees of the polymeric ligands were determined by the molecular weight determination study with the viscometer.

The influence of precursor and gas atmosphere during graphitic carbon nitride (gCN) preparation on its performance in a photocatalytic water splitting process was studied. Urea and melamine were heated up to 600 °C for 2 h in N 2 , CO 2 , air, and static air. The crystalline structure, porosity, chemical composition, and light absorption of the gCNs synthesized were investigated in depth. In addition, their capacity for H 2 production was studied in a quartz top Pyrex reactor connected on-line to a Micro-GC. The best results were obtained with urea heated in a CO 2 atmosphere. The results were discussed, considering the band gap and the existence of amino groups in the photocatalysts. In addition, the importance of the presence of s-triazine units was emphasized. [Display omitted] • Urea performs better than melamine for H 2 production. • The best calcination atmosphere depends on the precursor used. • The gCNs prepared with urea as precursor in a CO 2 atmosphere show the highest HER. • A relationship between the HER and the band gap of the photocatalyst was established. [ABSTRACT FROM AUTHOR]

A novel series of isatin-s-triazine hydrazone derivatives has been synthesized and reported herein. The synthetic methodology involved the reaction of s-triazine hydrazine precursors with isatin derivatives in the presence of CH3COOH as a catalyst and EtOH as solvent to afford the corresponding target products 6a-e in high yields and purities. The characterization data obtained from elemental analysis, FT-IR, NMR (1H- and 13C-) were in full agreement with the expected structures. Furthermore, an X-ray single crystal diffraction study of one of the target s-triazine hydrazone derivatives, 6c confirmed the structure of the desired compounds. It crystallized in the triclinic crystal system and P-1 space group with a = 10.3368(6) Å, b = 11.9804(8) Å, c = 12.7250(5) Å, α = 100.904(4)°, β = 107.959(4)° and γ = 109.638(6)°. The different non-covalent interactions which contributed in the molecular packing of 6c were analyzed using Hirshfeld analysis. The molecular packing of the organic part of the crystal structure showed important O…H (7.1%), C…H (16.4%), C…C (1.6%), H…H (34.8%), N…H (8.0%) and C…N (4.0%) interactions while for the crystal solvent, the O…H (21.3%), H…H (61.2%) and N…H (8.1%) contacts are the most significant. The studied compound 6c is polar and has a net dipole moment of 5.6072 Debye based on DFT study.

The trinuclear [Zn3(PMT)2(Cl4)(N3)2] complex of the N-pincer ligand, 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (PMT), was obtained by self-assembly of the polydentate ligand (PMT) with ZnCl2 in the presence of azide ion as an auxiliary bridging ligand. The X-ray structure analysis revealed a monoclinic crystal system and centrosymmetric space group C2/c. There are two crystallographically independent Zn(II) sites where the Zn1 and Zn2 are tetra- and penta-coordinated with ZnN2Cl2 and ZnN4Cl coordination environments, respectively. The distortion τ4 and τ5 parameters for the Zn1 and Zn2 sites are 0.93 and 0.52, respectively. Hence, the Zn(1)N2Cl2 has a distorted tetrahedral configuration, while the Zn(2)N4Cl coordination sphere is intermediate between the square pyramidal and trigonal bipyramidal configurations. In this complex, the PMT is a tridentate N-chelate, while the chloride and azide anions are terminal and μ(1,1) bridged ligands, respectively. The %H…H, N…H, Cl…H, and C…H are 40.8, 17.2, 16.0, and 10.1%, respectively, based on Hirshfeld analysis. The charges at the Zn1 (+0.996 e) and Zn2 (+1.067 e) sites are calculated to be less than the official charge of the isolated Zn(II) ion. The μ(1,1) bridged azide has two asymmetric N–N bonds with clear covalent characters. In contrast, the Zn–N and Zn–Cl bonds have predominant closed-shell characters.

Practical synthesis and biological activities of quinazolinyl–triazinyl semicarbazides (10a–j) and quinazolinyl–triazinyl thiosemicarbazides (11a–j) have been described. The novel semicarbazides and thiosemicarbazides were prepared by condensation of different nucleophiles like isocyanate and isothiocyanate by the displacement of chlorine atoms on the basis of functionality concept on varying conditions. The synthesized quinazolinyl–triazinyl semicarbazide and thiosemicarbazide derivatives were evaluated for their expected antimicrobial activity. All the final synthesized derivatives were characterized by their melting point, mass spectra, 1H NMR and 13C NMR as well as elemental microanalysis. The final analogues were then analyzed for their in vitro antimicrobial activity against bacteria (Gram positive and negative) and fungus using the agar streak dilution method as well as in vitro anti-HIV activity against two types of viral strains, viz. HIV type I (IIIB) and type II (ROD) by using MTT assay method. SAR and HOMO–LUMO studies were also carried out for proving the structural biological activity. Among them, compounds 10e, 10f, 11h and 11j gave best results as their energy gap is very low which makes their activity higher. [ABSTRACT FROM AUTHOR]

Pincer ligands are interesting chelating agents due to their high ability to motivate the metal ion characteristics leading to diverse types of applications. These ligands and their metal complexes are smart materials which have a great impact in the development of diverse applications helped alot in the advancement of the field of coordination chemistry. In homogenous catalytic transformations, pincer ligands improved the chemical and thermal stability that serve to minimize the leaching of the metal during the catalytic cycle. Also, they offered the ability to fine‐tune the electronic properties for the metal center, thereby increasing the scope of their coordination chemistry and applications especially the pincer ligands comprising s‐triazine core. This review discusses some of the general synthetic protocols of these s‐triazine pincer ligands and their metal complexes with various applications in different fields. In addition, their structural diversity and the ligand coordination behaviors with different metal ions were also explored. [ABSTRACT FROM AUTHOR]

A new aromatic diacid (II) was synthesized and Characterized by Spectroscopic techniques namely, FT-IR, 1 H and 13 C NMR, etc. A series of aromatic aliphatic polyamides containing phenoxy s-triazine ring with methylene spacer group was synthesized from diacid (II) and various aromatic diamines by using Yamazaki Phosphorylation method. These polyamides were obtained in good yields and characterized by solubility in common organic solvent, inherent viscosity, FT-IR, X-ray diffraction analysis. All of these polyamides were found to be amorphous in morphology as indicated by XRD to posses outstanding solubilities, and to be easily dissolved in amide-type polar aprotic polar solvents. Polyamides with moderate inherent viscosity in the range 0.21 to 0.41 dL/g in N,N,dimethyl formamide solvent (DMF) at 30 ± 0.1° C. The Thermal properties of the polyamides were evaluated by Thermogravimetric analysis and Differential scanning calorimetery. These polymer shows good thermal stability with glass transition temperature (Tg) of 143–223°C and their (Tmax) weight loss temperature were around 426–455°C, confirming their good thermal stability. The char yields of these polymers were given their limiting oxygen index LOI 32.3 to 37.5 5% values of polyamides; indicate these polymers also show good flame resistance. The NPs were negatively charged with a zeta potential of −24.2 to −37.9 mV indicating a good colloidal stability against aggregation.

2,4,6-Trichloro-1,3,5-triazine (cyanuric chloride) is an excellent coupling reagent for the preparation of highly structured multifunctional molecules. Three component systems based on porphyrin, cyanuric chloride and carborane clusters were prepared by a one-pot stepwise amination of cyanuric chloride with 5-(4-aminophenyl)-10,15,20-triphenylporphyrin, followed by replacement of the remaining chlorine atoms with carborane S- or N-nucleophiles. Some variants of 1,3,5-triazine derivatives containing porphyrin, carborane and residues of biologically active compounds such as maleimide, glycine methyl ester as well as thioglycolic acid, mercaptoethanol and hexafluoroisopropanol were also prepared. A careful control of the reaction temperature during the substitution reactions will allow the synthesis of desired compounds in a good to high yields. The structures of synthesized compounds were determined with UV-vis, IR, 1H NMR, 11B NMR, MALDI-TOF or LC-MS spectroscopic data. The dark and photocytotoxicity as well as intracellular localization and photoinduced cell death for compounds 8, 9, 17, 18 and 24 were evaluated.

A series of copolymers based on s-triazine and ethylene diamine moiety were synthesized; the prepared copolymers were characterized by FT-IR, TGA, DSC, and GPC. The thermogravimetric analysis of and the thermal stability of the copolymers were used to investigate their non-isothermal behavior. The comparative kinetic study was done using Kissinger method as a model-free; in addition, iso-conversional methods of Kissinger–Akahira–Sunose (KAS), Flynn–Wall–Ozawa (FWO) and Friedman (FR) are reported. The activation energy data extracted by the KAS, FWO and FR fit well with each other (as they are showing the same trend). Generally, the activation parameters were highly dependent on the copolymer's molecular structure. In addition, the substituent on the triazine core has a great impact, where the activation parameters increased in the presence of an electron-donating group such as a methoxy group (OCH3) on the aniline moiety. In contrast, it has decreased in the presence of the unsubstituted and p-bromo derivative (week deactivating group). On the other hand, the methoxy group attached to the aniline moiety gave the highest ash formation and the highest limiting oxygen index (LOI) value (29.45). [ABSTRACT FROM AUTHOR]

[Display omitted] An original synthesis of a new non-symmetric energetic ABB ' type monomer, 2-azido-4-propargylamino-6- propargyloxy- s- triazine, with a total yield of 40% involves the sequential introduction of propargylamino, propargyloxy and azido groups into s -triazine. DFT investigation of azide- Cl alkyne cycloaddition mechanism at M06-2X/6-311++G(d,p) level of theory for this monomer predicts that the regioselectivity of polycycloaddition reaction should increase with the number of propargylamino groups in the monomer structure due to the stabilization of the transition state, leading to 1,5-triazole regioisomer. [ABSTRACT FROM AUTHOR]

A new class of high performance hetero-aromatic-fluorescent polyesters containing coumarin and s-triazine rings was prepared by high temperature condensation polymerization technique using cetrimide as initiator at 170-180°C. All the polyesters were characterized by IR and ¹H NMR spectroscopy. The inherent and reduced viscosities were checked by Ubbelohde solution viscometer and intrinsic viscosity was measured using Huggins and Kraemer's equations. Solubility of all the polyesters was checked in polar and nonpolar solvents. Density of all the polyesters was counted by pycnometer. Thermo gravimetric analysis of all the polyesters has been carried out in air. The obtained polyesters have shown fluorescent property due to coumarin ring. [ABSTRACT FROM AUTHOR]

Anion-π interactions play an important role in supramolecular chemistry. The aim of this work is to explore the effect of H-bonding between s-Triazine and separated molecules (HF)n(HCl)3-n on the strength of anion-π interaction in X−–s-Triazine–(HF)n(HCl)3-n (X− = F–, Cl– and CN–) complexes. The M06-2X/6-311++G(d,p) binding energies (BEs) were corrected by using B2PLYP, mPW2PLYP, M06-2X-GD3 and B2PLYP-GD3 functionals. The molecular electrostatic potential (MESP) analysis revealed that involving multiple binding sites in s-Triazine (TA) through N···H H-bonding can enhance the MESP value over the ring centre of TA so that for H-bonding complexes containing HF is greater than those of HCl. The BE results revealed that the stability of X−–TA–(HF)n(HCl)3-n anion-π complexes in each series increases as the number of HF involved in H-bonding increases. The results showed that the complexes owning F– anion with higher interaction energies display the strong cooperativity effects in the ternary systems. B2PLYP functional showed stronger intramolecular dispersion effects than M06-2X one. Besides, a correlation was found between BE, MESP, bond distances, natural bond orbitals (NBO) and atoms in molecules (AIM) data. [ABSTRACT FROM AUTHOR]

The two ligands 2-(1-(2-(4,6-dimorpholino-1,3,5-triazin-2-yl)hydrazono)ethyl)aniline (DMAT) and 2-(1-(2-(4,6-dimorpholino-1,3,5-triazin-2-yl)hydrazono)ethyl)phenol (DMOHT) were used to synthesize three heteroleptic Cu(II) complexes via a self-assembly technique. The structure of the newly synthesized complexes was characterized using elemental analysis, FTIR and X-ray photoelectron spectroscopy (XPS) to be [Cu(DMAT)(H2O)(NO3)]NO3.C2H5OH (1), [Cu(DMOT)(CH3COO)] (2) and [Cu(DMOT)(NO3)] (3). X-ray single-crystal structure of complex 1 revealed a hexa-coordinated Cu(II) ion with one DMAT as a neutral tridentate NNN-chelate, one bidentate nitrate group and one water molecule. In the case of complex 2, the Cu(II) is tetra-coordinated with one DMOT as an anionic tridentate NNO-chelate and one monodentate acetate group. The antimicrobial, antioxidant and anticancer activities of the studied compounds were examined. Complex 1 had the best anticancer activity against the lung carcinoma A-549 cell line (IC50 = 5.94 ± 0.58 µM) when compared to cis-platin (25.01 ±2.29 µM). The selectivity index (SI) of complex 1 was the highest (6.34) when compared with the free ligands (1.3–1.8), and complexes 2 (0.72) and 3 (2.97). The results suggested that, among those compounds studied, complex 1 is the most promising anticancer agent against the lung carcinoma A-549 cell line. In addition, complex 1 had the highest antioxidant activity (IC50 = 13.34 ± 0.58 µg/mL) which was found to be comparable to the standard ascorbic acid (IC50 = 10.62 ± 0.84 µg/mL). Additionally, complex 2 showedbroad-spectrum antimicrobial action against the microbes studied. The results revealed it to possess the strongest action of all the three complexes against B. subtilis. The MIC values found are 39.06, 39.06 and 78.125 μg/mL for complexes 1–3, respectively.

The reaction of PtCl2 with s-triazine-type ligand (HTriaz) (1:1) in acetone under heating afforded a new [Pt(Triaz)Cl] complex. Single-crystal X-ray diffraction analysis showed that the ligand (HTriaz) is an NNO tridentate chelate via two N-atoms from the s-triazine and hydrazone moieties and one oxygen from the deprotonated phenolic OH. The coordination environment of the Pt(II) is completed by one Cl−1 ion trans to the Pt-N(hydrazone). Hirshfeld surface analysis showed that the most dominant interactions are the H···H, H···C and O···H intermolecular contacts. These interactions contributed by 60.9, 11.2 and 8.3% from the whole fingerprint area, respectively. Other minor contributions from the Cl···H, C···N, N···H and C···C contacts were also detected. Among these interactions, the most significant contacts are the O···H, H···C and H···H interactions. The amounts of the electron transfer from the ligand groups to Pt(II) metal center were predicted using NBO calculations. Additionally, the electronic spectra were assigned based on the TD-DFT calculations.

Triazine nuclei have occupied a propitious place in pharmaceutical chemistry due to their diverse biological behaviour. The marketed drugs such as Azacitidine, Melarsoprol, Altretamine and Almitrine display broad pharmacological activities like anti‐cancer, anti‐parasitic, anti‐inflammatory, Respiratory stimulant and many more. Literature studies reveal that the 2, 4, and 6 substitution on s‐triazine is important for varied biological activities. This diversity in pharmacological activities of triazine scaffold has fascinated the various researchers to further investigate its applications in the treatment of several diseases. This review is complementary to earlier reports and aims to review the work reported on various synthetic methods and biological activities of substituted s‐triazine derivatives from 2016 to 2020 with a list of patents. The enriched structure‐activity relationship may open the doors for further rational drug development of s‐triazine containing analogues as good clinical candidates. [ABSTRACT FROM AUTHOR]

Salting˗out-assisted liquid–liquid extraction coupled with high-performance liquid chromatography was developed for selective extraction and preconcentration of five s-triazine herbicides and three major metabolites of atrazine simultaneously. Under the optimum conditions, detection and quantification limits (ng mL−1) were found in the range 0.02–0.19 and 0.06–0.65, respectively. Linearity ranges (ng mL−1) of 1–60 (ametrin), 2–160 (desethylatrazine, desisopropyl atrazine, secbumetone and terbutryn) and 4–240 (hydroxyatrazine and aziprotryn) were obtained. The relative standard deviations for the intra- and inter-day precisions were in the ranges 0.3–8.5% and 5.4–9.8%, respectively. Relative recoveries of three spiked water samples were in the ranges of 72.5–114.6, 74.6–109.2 and 62.5–109.6% for the river, lake and underground water samples, respectively. [ABSTRACT FROM AUTHOR]

A series of furazan substituted s-triazine derivatives were designed and investigated theoretically as potential nitrogen-rich high-energy-density materials in this work. Density functional theory (DFT) methods were used to predict the heats of formation (HOFs) and compounds structure was optimized at B3PW91/6-31G++ (d,p) level. The explosive detonation parameters were calculated based on Kamlet−Jacobs equations and Born−Haber cycle. The presence of the −NO2 and − NH2 groups in the same structure were found to be helpful in improving structural stability through intramolecular weak interactions. Most of the designed compounds were characterized by high HOFs (solid-phase heat of information 71.01–518.20 kJ/mol) and crystal density values (1.74–1.90 g/cm3). In the analysis of frontier molecular orbital that some designed compounds chemical activity similar with TATB, but show better detonation performance. The predicted results reveal that some designed nitrogen-rich compounds outperform traditional energetic materials and may be considered as potential candidates for high-energy materials. [ABSTRACT FROM AUTHOR]

[Display omitted] • The dual functional fluorescent probe BPTD is sensitive for Ni2+ and ClO−. • The probe BPTD has the characteristics of good water solubility, low detection limit and rapid detection. • The probe BPTD has been successfully used to make convenient and low-cost Ni2+ and ClO− fluorescence test paper. In order to specifically detect Ni2+ and ClO−, a double functional s -triazine-phenothiazine fluorescent probe (BPTD) was synthesized, in which the multiple nitrogen atoms in s -triazine and hydrazone connecting arm were used for recognizing Ni2+, sulfur atom in phenothiazine was used as the reaction site for recognizing ClO−. BPTD has excellent optical properties: a large Stokes shift (131 nm) and good stability in a wide pH range (3.00 ∼ 12.00). Compared to the two fluorophores (s -triazine and phenothiazine), fluorescence emission peak of BPTD produces a large red-shift. The spectral experimental results show that BPTD can detect Ni2+ (5 ∼ 80 μM) and ClO− (10 ∼ 40 μM) with high selectivity and strong anti-interference. Compared with the reported fluorescent probes for detection of Ni2+, BPTD can detect Ni2+ more sensitively (response time 2.5 min, red shift 26 nm, the limit of detection (LOD) 98 nM), and simultaneously achieve the goal of highly sensitive detection of ClO− (response time 20 s, blue shift 18 nm, LOD 96 nM). BPTD can be applied to qualitative and quantitative detection of Ni2+ and ClO− in actual water samples, and made into portable test paper for rapid detection of Ni2+ and ClO−. [ABSTRACT FROM AUTHOR]

[Display omitted] • Core hopping design strategy of non-hydroxamate s -triazinedione-based MMP-9/10 inhibitors. • The novel inhibitors 6b and 6e surpassed NNGH in vitro and downregulated VEGF in A549 cells. • 6b and 6e were superior to sorafenib against A549 cells (IC 50 ∼ 0.13 μM and SI up to 6.77). • 6b and 6e sensitized NSCLC cells to sorafenib by suppression of invasion and proliferation. • Docking simulated the receptors binding modes of the new s -triazinedione-based scaffold. Non-small cell lung cancer (NSCLC) continues to be a leading cause of cancer death. Its fatality is associated with angiogenesis and metastasis. While VEGFR inhibitors are expected to be the central pillar for halting lung cancer, several clinical reports declared their subpar activities as monotherapy. These results directed combination studies of VEGFR inhibitors, especially sorafenib (Nexavar®), with various chemotherapeutic agents. Matrix metalloproteinase (MMP) inhibitors are seldom utilized in such combinations despite the expected complementary therapeutic outcome. This could be attributed to the clinical unsuitability of MMP inhibitors from the hydroxamate family. Herein, we report new non-hydroxamate s -triazinedione-based inhibitors of MMP-9 (6b; IC 50 = 0.112 μM), and MMP-10 (6e ; IC 50 = 0.076 μM) surpassing the hydroxamate inhibitor NNGH for chemosensitization of NSCLC to sorafenib. MMPs inhibition profiling of the hits revealed MMP-9 over −2 and MMP-10 over −13 selectivity. 6b and 6e were potent (IC 50 = 0.139 and 0.136 µM), safe (SI up to 6.77) and superior to sorafenib (IC 50 = 0.506 µM, SI = 6.27) against A549 cells. When combined with sorafenib, the studied MMP inhibitors enhanced its cytotoxic efficacy up to 26 folds as confirmed by CI and DRI values for 6b (CI = 0.160 and DRI = 22.175) and 6e (CI = 0.096 and DRI = 29.060). 6b and 6e exerted anti-invasive activities in A549 cells as single agents (22.66 and 39.67 %) and in sorafenib combinations (29.96 and 91.83 %) compared to untreated control. Both compounds downregulated VEGF in A549 cells by approximately 70 % when combined with sorafenib, highlighting enhanced anti-angiogenic activities. Collectively, combinations of 6b and 6e with sorafenib demonstrated synergistic NSCLC cytotoxicity with pronounced anti-invasive and anti-angiogenic activities introducing a promising start point for preclinical studies. [ABSTRACT FROM AUTHOR]